CID 19627414

[2-(cyclohexylmethoxy)phenyl]methanamine

Structural Information

Molecular Formula
C14H21NO
SMILES
C1CCC(CC1)COC2=CC=CC=C2CN
InChI
InChI=1S/C14H21NO/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11,15H2
InChIKey
HVAYQGHLKLBVTI-UHFFFAOYSA-N
Compound name
[2-(cyclohexylmethoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

219.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 151.5
[M+Na]+ 242.15153 155.1
[M-H]- 218.15503 156.5
[M+NH4]+ 237.19613 169.0
[M+K]+ 258.12547 151.9
[M+H-H2O]+ 202.15957 144.0
[M+HCOO]- 264.16051 172.2
[M+CH3COO]- 278.17616 190.4
[M+Na-2H]- 240.13698 155.2
[M]+ 219.16176 146.4
[M]- 219.16286 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe